N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide

C31H25N11O — CID 176699257

About N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide

N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 176699257) has the molecular formula C31H25N11O and a molecular weight of 567.62 g/mol. Its IUPAC name is N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide
• PubChem CID: 176699257
• Molecular Formula: C31H25N11O
• Molecular Weight: 567.62 g/mol
• Exact Mass: 567.22
• IUPAC Name: N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide
• SMILES: Cn1nc(C(=O)N[C@H]2CCc3cc(-n4c(-c5cccnc5N)nc5ccc(-n6cccn6)nc54)ccc32)c2cccnc21
• InChI: InChI=1S/C31H25N11O/c1-40-28-21(5-2-14-34-28)26(39-40)31(43)37-23-10-7-18-17-19(8-9-20(18)23)42-29(22-6-3-13-33-27(22)32)36-24-11-12-25(38-30(24)42)41-16-4-15-35-41/h2-6,8-9,11-17,23H,7,10H2,1H3,(H2,32,33)(H,37,43)/t23-/m0/s1
• InChIKey: DBKBVUMWUVOOSU-QHCPKHFHSA-N
• XLogP: 3.95
• TPSA: 147.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.62
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide?

The IUPAC name of N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide (CID 176699257) is N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide.

What is the SMILES notation for N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide?

The canonical SMILES for N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide is Cn1nc(C(=O)N[C@H]2CCc3cc(-n4c(-c5cccnc5N)nc5ccc(-n6cccn6)nc54)ccc32)c2cccnc21.

What is the InChIKey of N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide?

The InChIKey is DBKBVUMWUVOOSU-QHCPKHFHSA-N. The full InChI is InChI=1S/C31H25N11O/c1-40-28-21(5-2-14-34-28)26(39-40)31(43)37-23-10-7-18-17-19(8-9-20(18)23)42-29(22-6-3-13-33-27(22)32)36-24-11-12-25(38-30(24)42)41-16-4-15-35-41/h2-6,8-9,11-17,23H,7,10H2,1H3,(H2,32,33)(H,37,43)/t23-/m0/s1.

What are the key properties of N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide?

N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 567.62 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 176699257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).